UCSF

ZINC04450519

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 26 Yes

Other Names:

MFCD03863892

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.75 10.34 -50.53 2 4 1 48 369.872 8
Lo Low (pH 4.5-6) 3.75 10.62 -119.49 3 4 2 49 370.88 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )